1-(1-cyclohexylethyl)triazole

C10H17N3 — CID 68709190

IUPAC1-(1-cyclohexylethyl)triazole
SMILESCC(C1CCCCC1)n1ccnn1
InChIInChI=1S/C10H17N3/c1-9(13-8-7-11-12-13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyGSASNEBLEZFJMB-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.42
Rot. Bonds2

About 1-(1-cyclohexylethyl)triazole

1-(1-cyclohexylethyl)triazole (PubChem CID 68709190) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)triazole.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)triazole
PubChem CID68709190
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(1-cyclohexylethyl)triazole
SMILESCC(C1CCCCC1)n1ccnn1
InChIInChI=1S/C10H17N3/c1-9(13-8-7-11-12-13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyGSASNEBLEZFJMB-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclohexylethyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)triazole?
The IUPAC name of 1-(1-cyclohexylethyl)triazole (CID 68709190) is 1-(1-cyclohexylethyl)triazole.
What is the SMILES notation for 1-(1-cyclohexylethyl)triazole?
The canonical SMILES for 1-(1-cyclohexylethyl)triazole is CC(C1CCCCC1)n1ccnn1.
What is the InChIKey of 1-(1-cyclohexylethyl)triazole?
The InChIKey is GSASNEBLEZFJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(13-8-7-11-12-13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3.
What are the key properties of 1-(1-cyclohexylethyl)triazole?
1-(1-cyclohexylethyl)triazole has a molecular weight of 179.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)triazole is sourced from PubChem (CID 68709190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).